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  • 1
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Journal of Molecular Structure: THEOCHEM 166 (1988), S. 87-95 
    ISSN: 0166-1280
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 30 (1986), S. 143-153 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The n-level quantum system density-operators evolution is not usually given by the Liouville equation, but by a more general one. This equation must keep density-operators trace, hermiticity, and positiveness. These three conditions restrict the available kinds of evolution equations. In this paper we investigate linear equations for systems without memory effects. By using the first two conditions and the formalism we introduced in earlier papers, the evolution equation takes the form of a first order differential equation concerning the n2 - 1 dimension “coherence-vector.” The third one is the essential object of this paper. Moreover, we obtain a cononical splitting of this equation into four parts that may be separately studied.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 1061-1078 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The system of time-dependent Hartree-Fock equations allowing the calculation the of nth harmonic generation is established by using the same method used in a former paper in the same conditions. These equations are still subjected to orthonormalization conditions. Then by using a recurrence method, we express these equations in matrix form, as well as the orthonormalization conditions; and, as in the former paper, we then replace the solution of the matrix equation subjected to a constraint by that of a free equation. Finally the elimination of the spin variables allows a further simplification. So we obtain an equation allowing the calculation of the nth harmonic generation.
    Type of Medium: Electronic Resource
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